7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline

C24H24ClN5O2 — CID 10049401

IUPAC7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline
SMILESCc1nc2cc(Cl)ccc2c2c1nc(-c1ccccc1[N+](=O)[O-])n2CCC1CCNCC1
InChIInChI=1S/C24H24ClN5O2/c1-15-22-23(18-7-6-17(25)14-20(18)27-15)29(13-10-16-8-11-26-12-9-16)24(28-22)19-4-2-3-5-21(19)30(31)32/h2-7,14,16,26H,8-13H2,1H3
InChIKeyBIVOOVDTSPGCRE-UHFFFAOYSA-N
MW449.94 g/mol
LogP5.51
Rot. Bonds5

About 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline

7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline (PubChem CID 10049401) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline
PubChem CID10049401
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline
SMILESCc1nc2cc(Cl)ccc2c2c1nc(-c1ccccc1[N+](=O)[O-])n2CCC1CCNCC1
InChIInChI=1S/C24H24ClN5O2/c1-15-22-23(18-7-6-17(25)14-20(18)27-15)29(13-10-16-8-11-26-12-9-16)24(28-22)19-4-2-3-5-21(19)30(31)32/h2-7,14,16,26H,8-13H2,1H3
InChIKeyBIVOOVDTSPGCRE-UHFFFAOYSA-N
XLogP5.51
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.94
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline?
The IUPAC name of 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline (CID 10049401) is 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline is Cc1nc2cc(Cl)ccc2c2c1nc(-c1ccccc1[N+](=O)[O-])n2CCC1CCNCC1.
What is the InChIKey of 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline?
The InChIKey is BIVOOVDTSPGCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-15-22-23(18-7-6-17(25)14-20(18)27-15)29(13-10-16-8-11-26-12-9-16)24(28-22)19-4-2-3-5-21(19)30(31)32/h2-7,14,16,26H,8-13H2,1H3.
What are the key properties of 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline?
7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline has a molecular weight of 449.94 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2-(2-nitrophenyl)-1-(2-piperidin-4-ylethyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 10049401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).